| SpectraBase Compound ID | Kf0uhEAaBg8 |
|---|---|
| InChI | InChI=1S/C11H20O/c1-6-10(7-2)9(5)11(12)8(3)4/h8H,6-7H2,1-5H3 |
| InChIKey | QWVSTESIRURVHK-UHFFFAOYSA-N |
| Mol Weight | 168.28 g/mol |
| Molecular Formula | C11H20O |
| Exact Mass | 168.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6zBD4blykey |
|---|---|
| Name | 4-Hepten-3-one, 5-ethyl-2,4-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.151415263 u |
| Formula | C11H20O |
| InChI | InChI=1S/C11H20O/c1-6-10(7-2)9(5)11(12)8(3)4/h8H,6-7H2,1-5H3 |
| InChIKey | QWVSTESIRURVHK-UHFFFAOYSA-N |
| Molecular Weight | 168.280 g/mol |
| SMILES | C(=C(C(C(C)C)=O)C)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967105 |